5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine

C24H22FN7O2S — CID 90314130

IUPAC5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2F)cn1
InChIInChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)
InChIKeyYDAYNMYVMXKTEZ-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.83
Rot. Bonds5

About 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine (PubChem CID 90314130) has the molecular formula C24H22FN7O2S and a molecular weight of 491.55 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
PubChem CID90314130
Molecular FormulaC24H22FN7O2S
Molecular Weight491.55 g/mol
Exact Mass491.15
IUPAC Name5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2F)cn1
InChIInChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)
InChIKeyYDAYNMYVMXKTEZ-UHFFFAOYSA-N
XLogP2.83
TPSA118.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine (CID 90314130) is 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The InChIKey is YDAYNMYVMXKTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30).
What are the key properties of 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine has a molecular weight of 491.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).